Crystallography Open Database

Information card for entry 2242818

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Structure parameters

Chemical name	Poly[[di-μ~3~-glycine-lithium] perchlorate]
Formula	C4 H10 Cl Li N2 O8
Calculated formula	C4 H10 Cl Li N2 O8
SMILES	[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Li]1(OC(=O)C[NH3+])[O](C(=O)C[NH3+])[Li]2(OC(=O)C[NH3+])[O](C(=[O]1)C[NH3+])[Li]1(OC(=O)C[NH3+])[O](C(=[O]2)C[NH3+])[Li](OC(=[O]1)C[NH3+])OC(=O)C[NH3+]
Title of publication	Crystal structure and Hirshfeld surface analysis of poly[[di-μ~3~-glycine-lithium] perchlorate]
Authors of publication	Revathi, Palanisamy; Mohan, Janani S.; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	2
Pages of publication	134 - 138
a	12.7792 ± 0.0014 Å
b	5.2144 ± 0.0004 Å
c	15.6368 ± 0.0018 Å
α	90°
β	111.808 ± 0.004°
γ	90°
Cell volume	967.4 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2242818.cif 2242818.hkl
213116	2019-01-16	cif/ hkl/ Adding structures of 2242818 via cif-deposit CGI script.	2242818.cif 2242818.hkl